Geometry & MOs

Info

ID:	88318
PubChem CID:	49902902
Reduced:	ClSN4O4H25C27 (1)
Stoich.:	ABC4D4E25F27 (1)
Weight, g/mol:	452.88568
ΔH_f, kcal/mol:	-25.18
Dipole, Da:	12.61
IP(EA), eV:	-8.49(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-bromophenyl)methyl]-5-[(2-bromophenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C)/C=C\4/C(=O)N(C(=O)S4)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations